[tert-butyl(dimethyl)silyl] 3-[6-[tert-butyl(dimethyl)silyl]oxyimidazo[2,1-b][1,3]benzothiazol-2-yl]propanoate

C24H38N2O3SSi2 — CID 58775684

IUPAC[tert-butyl(dimethyl)silyl] 3-[6-[tert-butyl(dimethyl)silyl]oxyimidazo[2,1-b][1,3]benzothiazol-2-yl]propanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCc1cn2c(n1)sc1cc(O[Si](C)(C)C(C)(C)C)ccc12
InChIInChI=1S/C24H38N2O3SSi2/c1-23(2,3)31(7,8)28-18-12-13-19-20(15-18)30-22-25-17(16-26(19)22)11-14-21(27)29-32(9,10)24(4,5)6/h12-13,15-16H,11,14H2,1-10H3
InChIKeyUDMBLSABZFFGMN-UHFFFAOYSA-N
MW490.82 g/mol
LogP7.41
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 3-[6-[tert-butyl(dimethyl)silyl]oxyimidazo[2,1-b][1,3]benzothiazol-2-yl]propanoate

[tert-butyl(dimethyl)silyl] 3-[6-[tert-butyl(dimethyl)silyl]oxyimidazo[2,1-b][1,3]benzothiazol-2-yl]propanoate (PubChem CID 58775684) has the molecular formula C24H38N2O3SSi2 and a molecular weight of 490.82 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-[6-[tert-butyl(dimethyl)silyl]oxyimidazo[2,1-b][1,3]benzothiazol-2-yl]propanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-[6-[tert-butyl(dimethyl)silyl]oxyimidazo[2,1-b][1,3]benzothiazol-2-yl]propanoate
PubChem CID58775684
Molecular FormulaC24H38N2O3SSi2
Molecular Weight490.82 g/mol
Exact Mass490.21
IUPAC Name[tert-butyl(dimethyl)silyl] 3-[6-[tert-butyl(dimethyl)silyl]oxyimidazo[2,1-b][1,3]benzothiazol-2-yl]propanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCc1cn2c(n1)sc1cc(O[Si](C)(C)C(C)(C)C)ccc12
InChIInChI=1S/C24H38N2O3SSi2/c1-23(2,3)31(7,8)28-18-12-13-19-20(15-18)30-22-25-17(16-26(19)22)11-14-21(27)29-32(9,10)24(4,5)6/h12-13,15-16H,11,14H2,1-10H3
InChIKeyUDMBLSABZFFGMN-UHFFFAOYSA-N
XLogP7.41
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.82
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-[6-[tert-butyl(dimethyl)silyl]oxyimidazo[2,1-b][1,3]benzothiazol-2-yl]propanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-[6-[tert-butyl(dimethyl)silyl]oxyimidazo[2,1-b][1,3]benzothiazol-2-yl]propanoate (CID 58775684) is [tert-butyl(dimethyl)silyl] 3-[6-[tert-butyl(dimethyl)silyl]oxyimidazo[2,1-b][1,3]benzothiazol-2-yl]propanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-[6-[tert-butyl(dimethyl)silyl]oxyimidazo[2,1-b][1,3]benzothiazol-2-yl]propanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-[6-[tert-butyl(dimethyl)silyl]oxyimidazo[2,1-b][1,3]benzothiazol-2-yl]propanoate is CC(C)(C)[Si](C)(C)OC(=O)CCc1cn2c(n1)sc1cc(O[Si](C)(C)C(C)(C)C)ccc12.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-[6-[tert-butyl(dimethyl)silyl]oxyimidazo[2,1-b][1,3]benzothiazol-2-yl]propanoate?
The InChIKey is UDMBLSABZFFGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O3SSi2/c1-23(2,3)31(7,8)28-18-12-13-19-20(15-18)30-22-25-17(16-26(19)22)11-14-21(27)29-32(9,10)24(4,5)6/h12-13,15-16H,11,14H2,1-10H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-[6-[tert-butyl(dimethyl)silyl]oxyimidazo[2,1-b][1,3]benzothiazol-2-yl]propanoate?
[tert-butyl(dimethyl)silyl] 3-[6-[tert-butyl(dimethyl)silyl]oxyimidazo[2,1-b][1,3]benzothiazol-2-yl]propanoate has a molecular weight of 490.82 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3-[6-[tert-butyl(dimethyl)silyl]oxyimidazo[2,1-b][1,3]benzothiazol-2-yl]propanoate is sourced from PubChem (CID 58775684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).